CID 146049932

2413878-30-3

Structural Information

Molecular Formula
C9H15NO4
SMILES
C1CNCCC12COCC(O2)C(=O)O
InChI
InChI=1S/C9H15NO4/c11-8(12)7-5-13-6-9(14-7)1-3-10-4-2-9/h7,10H,1-6H2,(H,11,12)
InChIKey
CKPQVSUTBGMZEB-UHFFFAOYSA-N
Compound name
1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 143.9
[M+Na]+ 224.08933 147.3
[M-H]- 200.09283 145.5
[M+NH4]+ 219.13393 159.1
[M+K]+ 240.06327 148.0
[M+H-H2O]+ 184.09737 137.5
[M+HCOO]- 246.09831 155.1
[M+CH3COO]- 260.11396 175.4
[M+Na-2H]- 222.07478 149.9
[M]+ 201.09956 136.4
[M]- 201.10066 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.